Glycoside
GD087904
Name:
NoneFormula:
C19H27O7N3SSmiles:
Cc1nc(CN2CC[C@]3(CCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C3)C2=O)cs1Aglycone:
Cc1nc(CN2CCC3(CCCNC3)C2=O)cs1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 441.51 | Num_heavy_atoms: | 30 |
| TPSA: | 151.5 | NumAromaticRings: | 1 |
Unique Aglycone
AD38538
Formula: C13H19ON3S
Smiles:
Cc1nc(CN2CCC3(CCCNC3)C2=O)cs1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 265.38 | Num_heavy_atoms: | 18 |
| TPSA: | 45.23 | NumAromaticRings: | 1 |
